9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

C14H22N2O3S — CID 131639239

IUPAC9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCCC12CCCN(Cc1ccco1)C2
InChIInChI=1S/C14H22N2O3S/c1-20(17,18)16-9-4-7-14(16)6-3-8-15(12-14)11-13-5-2-10-19-13/h2,5,10H,3-4,6-9,11-12H2,1H3
InChIKeyFKTGYVBOURUORR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.67
Rot. Bonds3

About 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (PubChem CID 131639239) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
PubChem CID131639239
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCCC12CCCN(Cc1ccco1)C2
InChIInChI=1S/C14H22N2O3S/c1-20(17,18)16-9-4-7-14(16)6-3-8-15(12-14)11-13-5-2-10-19-13/h2,5,10H,3-4,6-9,11-12H2,1H3
InChIKeyFKTGYVBOURUORR-UHFFFAOYSA-N
XLogP1.67
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97372623
2-[9-(furan-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine
CID 118747030
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 131660791
7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane
CID 131641729
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
(3aS,8aR)-5-(furan-2-ylmethyl)-2-methylsulfonyl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155825947
(3aR,7aR)-6-(furan-2-ylmethyl)-1-methylsulfonyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
CID 97381136
1-methylsulfonyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97372630
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
(5S)-3-ethyl-9-(furan-2-ylmethyl)-13-methylsulfonyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360551

Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (CID 131639239) is 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is CS(=O)(=O)N1CCCC12CCCN(Cc1ccco1)C2.
What is the InChIKey of 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The InChIKey is FKTGYVBOURUORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(17,18)16-9-4-7-14(16)6-3-8-15(12-14)11-13-5-2-10-19-13/h2,5,10H,3-4,6-9,11-12H2,1H3.
What are the key properties of 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane has a molecular weight of 298.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131639239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).